2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide

C15H24N2O2 — CID 43112828

IUPAC2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
SMILESCOc1cccc(NC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)8-9-16-15(18)12(3)17-13-6-5-7-14(10-13)19-4/h5-7,10-12,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyAVMATSIJFASLEH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.66
Rot. Bonds7

About 2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide

2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide (PubChem CID 43112828) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
PubChem CID43112828
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
SMILESCOc1cccc(NC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)8-9-16-15(18)12(3)17-13-6-5-7-14(10-13)19-4/h5-7,10-12,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyAVMATSIJFASLEH-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 81353670
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 82868278
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide
CID 58173078
4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112977
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide (CID 43112828) is 2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide is COc1cccc(NC(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is AVMATSIJFASLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)8-9-16-15(18)12(3)17-13-6-5-7-14(10-13)19-4/h5-7,10-12,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide?
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43112828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).